4-(3,3-difluoro-3-methylidenealumanylpropyl)piperidin-1-amine

C9H17AlF2N2 — CID 142032983

IUPAC4-(3,3-difluoro-3-methylidenealumanylpropyl)piperidin-1-amine
SMILESC=[Al]C(F)(F)CCC1CCN(N)CC1
InChIInChI=1S/C8H15F2N2.CH2.Al/c9-8(10)2-1-7-3-5-12(11)6-4-7;;/h7H,1-6,11H2;1H2;
InChIKeyWILGCBIULLRKFR-UHFFFAOYSA-N
MW218.23 g/mol
LogP1.08
Rot. Bonds4

About 4-(3,3-difluoro-3-methylidenealumanylpropyl)piperidin-1-amine

4-(3,3-difluoro-3-methylidenealumanylpropyl)piperidin-1-amine (PubChem CID 142032983) has the molecular formula C9H17AlF2N2 and a molecular weight of 218.23 g/mol. Its IUPAC name is 4-(3,3-difluoro-3-methylidenealumanylpropyl)piperidin-1-amine.

Molecular Properties

Compound Name4-(3,3-difluoro-3-methylidenealumanylpropyl)piperidin-1-amine
PubChem CID142032983
Molecular FormulaC9H17AlF2N2
Molecular Weight218.23 g/mol
Exact Mass218.12
IUPAC Name4-(3,3-difluoro-3-methylidenealumanylpropyl)piperidin-1-amine
SMILESC=[Al]C(F)(F)CCC1CCN(N)CC1
InChIInChI=1S/C8H15F2N2.CH2.Al/c9-8(10)2-1-7-3-5-12(11)6-4-7;;/h7H,1-6,11H2;1H2;
InChIKeyWILGCBIULLRKFR-UHFFFAOYSA-N
XLogP1.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

Analyze 4-(3,3-difluoro-3-methylidenealumanylpropyl)piperidin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoro-3-methylidenealumanylpropyl)piperidin-1-amine?
The IUPAC name of 4-(3,3-difluoro-3-methylidenealumanylpropyl)piperidin-1-amine (CID 142032983) is 4-(3,3-difluoro-3-methylidenealumanylpropyl)piperidin-1-amine.
What is the SMILES notation for 4-(3,3-difluoro-3-methylidenealumanylpropyl)piperidin-1-amine?
The canonical SMILES for 4-(3,3-difluoro-3-methylidenealumanylpropyl)piperidin-1-amine is C=[Al]C(F)(F)CCC1CCN(N)CC1.
What is the InChIKey of 4-(3,3-difluoro-3-methylidenealumanylpropyl)piperidin-1-amine?
The InChIKey is WILGCBIULLRKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N2.CH2.Al/c9-8(10)2-1-7-3-5-12(11)6-4-7;;/h7H,1-6,11H2;1H2;.
What are the key properties of 4-(3,3-difluoro-3-methylidenealumanylpropyl)piperidin-1-amine?
4-(3,3-difluoro-3-methylidenealumanylpropyl)piperidin-1-amine has a molecular weight of 218.23 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoro-3-methylidenealumanylpropyl)piperidin-1-amine is sourced from PubChem (CID 142032983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).